| SpectraBase Compound ID | 1FMQAXoqlQI |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-8(2)6(11-8)5(10)7-9(3,4)12-7/h6-7H,1-4H3 |
| InChIKey | MXUNDLSTLKKJNM-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DuUojkC3gCu |
|---|---|
| Name | 4-HEPTANONE, 2,3:5,6-DIEPOXY-2,6-DIMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-8(2)6(11-8)5(10)7-9(3,4)12-7/h6-7H,1-4H3 |
| InChIKey | MXUNDLSTLKKJNM-UHFFFAOYSA-N |
| Molecular Weight | 170.0939 |
| SMILES | C1(C)(C)OC1C(C1OC1(C)C)=O |
| SPLASH | splash10-052f-9000000000-0963fa1677a8b188c847 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |